2-chloro-N-(3-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide

C18H19ClN2O3S — CID 1265015

IUPAC2-chloro-N-(3-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCCC3)ccc2Cl)c1
InChIInChI=1S/C18H19ClN2O3S/c1-13-5-4-6-15(11-13)20-25(23,24)17-12-14(7-8-16(17)19)18(22)21-9-2-3-10-21/h4-8,11-12,20H,2-3,9-10H2,1H3
InChIKeyQCKNRGCOQBVXRU-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.69
Rot. Bonds4

About 2-chloro-N-(3-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide

2-chloro-N-(3-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 1265015) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-chloro-N-(3-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID1265015
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name2-chloro-N-(3-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCCC3)ccc2Cl)c1
InChIInChI=1S/C18H19ClN2O3S/c1-13-5-4-6-15(11-13)20-25(23,24)17-12-14(7-8-16(17)19)18(22)21-9-2-3-10-21/h4-8,11-12,20H,2-3,9-10H2,1H3
InChIKeyQCKNRGCOQBVXRU-UHFFFAOYSA-N
XLogP3.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(3-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 1265015) is 2-chloro-N-(3-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(3-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(3-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCCC3)ccc2Cl)c1.
What is the InChIKey of 2-chloro-N-(3-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is QCKNRGCOQBVXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-13-5-4-6-15(11-13)20-25(23,24)17-12-14(7-8-16(17)19)18(22)21-9-2-3-10-21/h4-8,11-12,20H,2-3,9-10H2,1H3.
What are the key properties of 2-chloro-N-(3-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide?
2-chloro-N-(3-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 378.88 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylphenyl)-5-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 1265015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).